diethyl 2-[2-[5-cyano-6-(3-methoxyphenyl)-2-methylsulfanyl-pyrimidin-4-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[5-cyano-6-(3-methoxyphenyl)-2-methylsulfanyl-pyrimidin-4-yl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[5-cyano-6-(3-methoxyphenyl)-2-methylsulfanyl-pyrimidin-4-yl]ethyl]propanedioate CAS Name: 2-[2-[5-cyano-6-(3-methoxyphenyl)-2-(methylthio)-4-pyrimidinyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[5-cyano-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidin-4-yl]ethyl]propanedioate Traditional Name: 2-[2-[5-cyano-6-(3-methoxyphenyl)-2-(methylthio)pyrimidin-4-yl]ethyl]malonic acid diethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC(=NC(=C1C#N)C2=CC(=CC=C2)OC)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=NC(=NC(=C1C#N)C2=CC(=CC=C2)OC)SC)C(=O)OCC

InChI

InChI=1S/C22H25N3O5S/c1-5-29-20(26)16(21(27)30-6-2)10-11-18-17(13-23)19(25-22(24-18)31-4)14-8-7-9-15(12-14)28-3/h7-9,12,16H,5-6,10-11H2,1-4H3